Postdoc in Computational Materials Science: Electronic-Structure Theory and AI-Guided Materials Design

The Materials Science & Engineering Center at the Department of Biological & Chemical Engineering is looking for a postdoctoral research fellow to investigate the formation of intermetallic phases and reduced metal halides.

Expected start date and duration of employment

This is a 12-month employment (with the possibility of extension) from 1 September 2026 or as soon possible thereafter. 

Job description

The postdoc will develop and apply computational methods to identify, rationalize, and guide the synthesis of heavy-element materials. The position will focus on linking scalar-relativistic orbital shifts, spin–orbit coupling, electronic topology, bonding motifs, lone-pair activity, magnetic interactions, and measurable functional properties.

The researcher will work closely with experimental postdocs and PhD students in synthesis, diffraction, spectroscopy, and physical property characterization. A ...